N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide

C28H30ClN3O2 — CID 46038514

IUPACN-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H30ClN3O2/c1-2-31(20-21-8-4-3-5-9-21)28(34)25-10-6-7-11-26(25)32-18-16-24(17-19-32)30-27(33)22-12-14-23(29)15-13-22/h3-15,24H,2,16-20H2,1H3,(H,30,33)
InChIKeyFRYKRUGTSRRVIJ-UHFFFAOYSA-N
MW476.02 g/mol
LogP5.40
Rot. Bonds7

About N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide

N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide (PubChem CID 46038514) has the molecular formula C28H30ClN3O2 and a molecular weight of 476.02 g/mol. Its IUPAC name is N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide
PubChem CID46038514
Molecular FormulaC28H30ClN3O2
Molecular Weight476.02 g/mol
Exact Mass475.20
IUPAC NameN-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H30ClN3O2/c1-2-31(20-21-8-4-3-5-9-21)28(34)25-10-6-7-11-26(25)32-18-16-24(17-19-32)30-27(33)22-12-14-23(29)15-13-22/h3-15,24H,2,16-20H2,1H3,(H,30,33)
InChIKeyFRYKRUGTSRRVIJ-UHFFFAOYSA-N
XLogP5.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide?
The IUPAC name of N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide (CID 46038514) is N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide.
What is the SMILES notation for N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide?
The canonical SMILES for N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide is CCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide?
The InChIKey is FRYKRUGTSRRVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O2/c1-2-31(20-21-8-4-3-5-9-21)28(34)25-10-6-7-11-26(25)32-18-16-24(17-19-32)30-27(33)22-12-14-23(29)15-13-22/h3-15,24H,2,16-20H2,1H3,(H,30,33).
What are the key properties of N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide?
N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide has a molecular weight of 476.02 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide is sourced from PubChem (CID 46038514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).